Ethyl {3-[4-Amino-5-{3-[(Cyclopropylsulfonyl)Amino]-1-Propyn-1-Yl}-2-Oxo-1(2H)-Pyrimidinyl]-3-Oxetanyl}Acetate

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Properties Simple | Detailed

Formula C17H23N4O6S+
IUPAC Name ethyl 2-[3-[4-amino-5-[3-(cyclopropylsulfonylamino)prop-1-ynyl]-2-oxo-pyrimidin-1-ium-3-id-1-yl]oxetan-3-yl]acetate
Molecular Mass 411.453 g·mol−1
Heat of Formation -598.1 ± 16.7 kJ·mol−1
Dipole Moment 8.93 ± 1.08 D
Volume 457.65 Å 3
Surface Area 402.18 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey MIAWQMZUJQYSPX-UHFFFAOYSA-N
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